CRYSTAL
PRIMVEC
3.819990 0.000000 0.000000
1.909995 3.308208 0.000000
1.909995 1.102736 3.119009
CONVVEC
0 4.41094429 3.11900862                                                       
3.81998981 -2.20547214 3.11900862                                         
3.81998981 2.20547214 -3.11900862
PRIMCOORD
9 1
14 1.909995 1.102736 0.779752 0.000000 0.000000 0.000000
14 0     0     0
14     1.9100    1.1027    3.1190
14     1.9100    3.3082         0
14     3.8200    4.4109    3.1190
14     3.8200         0         0
14     5.7300    1.1027    3.1190
14     5.7300    3.3082         0
14     7.6400    4.4109    3.1190